dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate

C84H86ClK2N19O8S10 — CID 158937710

IUPACdipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate
SMILESCN1CCCC(=O)C1.CN1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1.CN1CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2cccs2)C1.N#C/C(=C\c1cccs1)C(N)=S.NC(=O)CCl.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCN(Cc1ccccc1)C3.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCNC3.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H20N4OS2.C16H16N4OS2.C15H14N4OS2.C14H13N3S2.C8H6N2S2.C6H11NO.C2H4ClNO.CH2O3.2K.H/c23-19-18-17(16-7-4-10-28-16)14-8-9-26(11-13-5-2-1-3-6-13)12-15(14)25-22(18)29-20(19)21(24)27;1-20-5-4-8-9(7-20)19-16-12(11(8)10-3-2-6-22-10)13(17)14(23-16)15(18)21;16-12-11-10(9-2-1-5-21-9)7-3-4-18-6-8(7)19-15(11)22-13(12)14(17)20;1-17-5-4-9-11(8-17)16-14(18)10(7-15)13(9)12-3-2-6-19-12;9-5-6(8(10)11)4-7-2-1-3-12-7;1-7-4-2-3-6(8)5-7;3-1-2(4)5;2-1-4-3;;;/h1-7,10H,8-9,11-12,23H2,(H2,24,27);2-3,6H,4-5,7,17H2,1H3,(H2,18,21);1-2,5,18H,3-4,6,16H2,(H2,17,20);2-3,6H,4-5,8H2,1H3,(H,16,18);1-4H,(H2,10,11);2-5H2,1H3;1H2,(H2,4,5);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;6-4+;;;;;;
InChIKeyVUEDQWHRWHKQGM-CKSQDHAOSA-M
MW1924.06 g/mol
LogP7.13
Rot. Bonds13

About dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate

dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate (PubChem CID 158937710) has the molecular formula C84H86ClK2N19O8S10 and a molecular weight of 1924.06 g/mol. Its IUPAC name is dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate.

Molecular Properties

Compound Namedipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate
PubChem CID158937710
Molecular FormulaC84H86ClK2N19O8S10
Molecular Weight1924.06 g/mol
Exact Mass1921.31
IUPAC Namedipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate
SMILESCN1CCCC(=O)C1.CN1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1.CN1CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2cccs2)C1.N#C/C(=C\c1cccs1)C(N)=S.NC(=O)CCl.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCN(Cc1ccccc1)C3.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCNC3.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C22H20N4OS2.C16H16N4OS2.C15H14N4OS2.C14H13N3S2.C8H6N2S2.C6H11NO.C2H4ClNO.CH2O3.2K.H/c23-19-18-17(16-7-4-10-28-16)14-8-9-26(11-13-5-2-1-3-6-13)12-15(14)25-22(18)29-20(19)21(24)27;1-20-5-4-8-9(7-20)19-16-12(11(8)10-3-2-6-22-10)13(17)14(23-16)15(18)21;16-12-11-10(9-2-1-5-21-9)7-3-4-18-6-8(7)19-15(11)22-13(12)14(17)20;1-17-5-4-9-11(8-17)16-14(18)10(7-15)13(9)12-3-2-6-19-12;9-5-6(8(10)11)4-7-2-1-3-12-7;1-7-4-2-3-6(8)5-7;3-1-2(4)5;2-1-4-3;;;/h1-7,10H,8-9,11-12,23H2,(H2,24,27);2-3,6H,4-5,7,17H2,1H3,(H2,18,21);1-2,5,18H,3-4,6,16H2,(H2,17,20);2-3,6H,4-5,8H2,1H3,(H,16,18);1-4H,(H2,10,11);2-5H2,1H3;1H2,(H2,4,5);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;6-4+;;;;;;
InChIKeyVUEDQWHRWHKQGM-CKSQDHAOSA-M
XLogP7.13
TPSA469.90 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001924.06
LogP ≤ 57.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate?
The IUPAC name of dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate (CID 158937710) is dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate.
What is the SMILES notation for dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate?
The canonical SMILES for dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate is CN1CCCC(=O)C1.CN1CCc2c([nH]c(=S)c(C#N)c2-c2cccs2)C1.CN1CCc2c(nc3sc(C(N)=O)c(N)c3c2-c2cccs2)C1.N#C/C(=C\c1cccs1)C(N)=S.NC(=O)CCl.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCN(Cc1ccccc1)C3.NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCNC3.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate?
The InChIKey is VUEDQWHRWHKQGM-CKSQDHAOSA-M. The full InChI is InChI=1S/C22H20N4OS2.C16H16N4OS2.C15H14N4OS2.C14H13N3S2.C8H6N2S2.C6H11NO.C2H4ClNO.CH2O3.2K.H/c23-19-18-17(16-7-4-10-28-16)14-8-9-26(11-13-5-2-1-3-6-13)12-15(14)25-22(18)29-20(19)21(24)27;1-20-5-4-8-9(7-20)19-16-12(11(8)10-3-2-6-22-10)13(17)14(23-16)15(18)21;16-12-11-10(9-2-1-5-21-9)7-3-4-18-6-8(7)19-15(11)22-13(12)14(17)20;1-17-5-4-9-11(8-17)16-14(18)10(7-15)13(9)12-3-2-6-19-12;9-5-6(8(10)11)4-7-2-1-3-12-7;1-7-4-2-3-6(8)5-7;3-1-2(4)5;2-1-4-3;;;/h1-7,10H,8-9,11-12,23H2,(H2,24,27);2-3,6H,4-5,7,17H2,1H3,(H2,18,21);1-2,5,18H,3-4,6,16H2,(H2,17,20);2-3,6H,4-5,8H2,1H3,(H,16,18);1-4H,(H2,10,11);2-5H2,1H3;1H2,(H2,4,5);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;6-4+;;;;;;.
What are the key properties of dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate?
dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate has a molecular weight of 1924.06 g/mol, XLogP of 7.13, 13 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;3-amino-7-benzyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-7-methyl-4-thiophen-2-yl-6,8-dihydro-5H-thieno[2,3-b][1,7]naphthyridine-2-carboxamide;3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b][1,7]naphthyridine-2-carboxamide;2-chloroacetamide;(E)-2-cyano-3-thiophen-2-ylprop-2-enethioamide;hydride;1-methylpiperidin-3-one;7-methyl-2-sulfanylidene-4-thiophen-2-yl-1,5,6,8-tetrahydro-1,7-naphthyridine-3-carbonitrile;oxido formate is sourced from PubChem (CID 158937710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).